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Compound Detail

CHEMBL4594991

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O=S(=O)(c1ccccc1)n1cc(-c2c[n+]3cccnc3[nH]2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594991
Phase Preclinical
Structure Type MOL
InChI Key QODYBFGDVWNZBI-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.01
ALogP
4
HBA
1
HBD
71.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N4O2S+
MW 375.43
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine